2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C17H14N4O2S2 — CID 665509

IUPAC2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H14N4O2S2/c1-2-12-19-14-10-5-3-4-6-11(10)23-15(14)16(20-12)25-9-13(22)21-17-18-7-8-24-17/h3-8H,2,9H2,1H3,(H,18,21,22)
InChIKeyJTCAYHUXIRSCPN-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.13
Rot. Bonds5

About 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 665509) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID665509
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H14N4O2S2/c1-2-12-19-14-10-5-3-4-6-11(10)23-15(14)16(20-12)25-9-13(22)21-17-18-7-8-24-17/h3-8H,2,9H2,1H3,(H,18,21,22)
InChIKeyJTCAYHUXIRSCPN-UHFFFAOYSA-N
XLogP4.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 665509) is 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JTCAYHUXIRSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-2-12-19-14-10-5-3-4-6-11(10)23-15(14)16(20-12)25-9-13(22)21-17-18-7-8-24-17/h3-8H,2,9H2,1H3,(H,18,21,22).
What are the key properties of 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).